5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine

C17H28FN — CID 79734919

IUPAC5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(CCC(C)(C)CCNC(C)C)ccc1F
InChIInChI=1S/C17H28FN/c1-13(2)19-11-10-17(4,5)9-8-15-6-7-16(18)14(3)12-15/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyNECMBFURQNOJDX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.48
Rot. Bonds7

About 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine

5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine (PubChem CID 79734919) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
PubChem CID79734919
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
SMILESCc1cc(CCC(C)(C)CCNC(C)C)ccc1F
InChIInChI=1S/C17H28FN/c1-13(2)19-11-10-17(4,5)9-8-15-6-7-16(18)14(3)12-15/h6-7,12-13,19H,8-11H2,1-5H3
InChIKeyNECMBFURQNOJDX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
3-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830965
5-(4-fluoro-2,6-dimethylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 106880149
N-tert-butyl-4-(4-fluoro-3-methylphenyl)-2,2-dimethylbutan-1-amine
CID 79735596
4-(4-fluoro-3,5-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306223
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
4-(5-chloro-2-fluorophenyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 103051801
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
3,3-dimethyl-N-propan-2-yl-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81022510
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine (CID 79734919) is 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine is Cc1cc(CCC(C)(C)CCNC(C)C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
The InChIKey is NECMBFURQNOJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-13(2)19-11-10-17(4,5)9-8-15-6-7-16(18)14(3)12-15/h6-7,12-13,19H,8-11H2,1-5H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine?
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79734919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).